N4-[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]pyridine-3,4-diamine

Systemtic Name: N4-[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]pyridine-3,4-diamine Openeye Name: N4-[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]pyridine-3,4-diamine CAS Name: N4-[2-(5-chloro-2-fluorophenyl)-5-methoxy-4-pyrimidinyl]pyridine-3,4-diamine IUPAC Name: 4-N-[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]pyridine-3,4-diamine Traditional Name: (3-amino-4-pyridyl)-[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amine Formula: C16H13ClFN5O MolecularWeight: 345.758723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1NC2=C(C=NC=C2)N)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

COC1=CN=C(N=C1NC2=C(C=NC=C2)N)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C16H13ClFN5O/c1-24-14-8-21-15(10-6-9(17)2-3-11(10)18)23-16(14)22-13-4-5-20-7-12(13)19/h2-8H,19H2,1H3,(H,20,21,22,23)